2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

C15H20N4S — CID 84756565

IUPAC2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCc1nc2scc(C)n2c1C(C#N)N1CCCCCC1
InChIInChI=1S/C15H20N4S/c1-11-10-20-15-17-12(2)14(19(11)15)13(9-16)18-7-5-3-4-6-8-18/h10,13H,3-8H2,1-2H3
InChIKeyZXZOJIRPSOUNRG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.45
Rot. Bonds2

About 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile

2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (PubChem CID 84756565) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
PubChem CID84756565
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
SMILESCc1nc2scc(C)n2c1C(C#N)N1CCCCCC1
InChIInChI=1S/C15H20N4S/c1-11-10-20-15-17-12(2)14(19(11)15)13(9-16)18-7-5-3-4-6-8-18/h10,13H,3-8H2,1-2H3
InChIKeyZXZOJIRPSOUNRG-UHFFFAOYSA-N
XLogP3.45
TPSA44.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The IUPAC name of 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile (CID 84756565) is 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is Cc1nc2scc(C)n2c1C(C#N)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
The InChIKey is ZXZOJIRPSOUNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-11-10-20-15-17-12(2)14(19(11)15)13(9-16)18-7-5-3-4-6-8-18/h10,13H,3-8H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile?
2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile has a molecular weight of 288.42 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile is sourced from PubChem (CID 84756565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).